Basic information
- CAS
101491-41-2- Standard SMILES
CCCCCN(CCCCC)C(=N)N=C(N)N- InChIKey
ASLUEXWHMHPYQQ-UHFFFAOYSA-N- Molecular formula
- C12H27N5
- Average molar mass
- 241.38 g/mol
- Monoisotopic mass
- 241.22664588
Names & identifiers
- Preferred name
- Biguanide, 1,1-dipentyl-
- IUPAC
- 3-(diaminomethylidene)-1,1-dipentylguanidine
Names & synonyms
101491-41-2RefChem:1079850Biguanide, 1,1-dipentyl-DTXSID30906223N,N-Dipentyltriimidodicarbonic diamide
Database identifiers
- CAS
101491-41-2- PubChem CID
- 58403
- DTXSID
DTXSID30906223
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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